Ethyl 4-amino-3-chlorobenzoate

Basic Information

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CAS Number

82765-44-4

Molecular Formula

C9H10ClNO2

Molecular Weight

199.64 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Amines

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

83-84°C

SMILES

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CCOC(=O)c1ccc(N)c(Cl)c1

InChI

InChI=1S/C9H10ClNO2/c1-2-13-9(12)6-3-4-8(11)7(10)5-6/h3-5H,2,11H2,1H3

InChIKey

MFDTVONVIRHHBR-UHFFFAOYSA-N

LogP

2.0989

Topological Polar Surface Area

52.32 Å²

Hydrogen Bond Donor/Acceptor

2 / 3

Complexity

187

Synonyms & References

English

Ethyl 4-amino-3-chlorobenzoate
4-Amino-3-chloro-benzoic acid ethyl ester
Benzoicacid, 4-amino-3-chloro-, ethyl ester
1-amino-2-chloro-4-carbethoxybenzene
1-amino-2-chloro-4-carboethoxybenzene
ethyl 3-chloro-4-aminobenzoate
ethyl 4-amino-3-chloro-benzoate
ethyl 4-amino-3-chlorobenzoate(SALTDATA: FREE)
4-amino-3-chlorobenzoic acid ethyl ester
MFDTVONVIRHHBR-UHFFFAOYSA-N
SP4140
STK825994
BBL000627
AB0073824

MDL Number

MFCD06411007

Customs Code

2922499990

FAQ

What are the physical and chemical properties of Ethyl 4-amino-3-chlorobenzoate (CAS: 82765-44-4)?

Ethyl 4-amino-3-chlorobenzoate (CAS: 82765-44-4) is a white to off-white crystalline solid with a molecular weight of approximately 226.61 g/mol. It has a solubility of about 0.14 g/100 mL in water and is more soluble in organic solvents like ethanol. Chemically, it is relatively stable but may react with strong acids or bases. It is insoluble in water but soluble in organic solvents, making it useful in various applications.

How is Ethyl 4-amino-3-chlorobenzoate (CAS: 82765-44-4) typically synthesized?

Ethyl 4-amino-3-chlorobenzoate (CAS: 82765-44-4) is typically synthesized via the reaction of 4-amino-3-chlorobenzoic acid with ethyl chloroformate in the presence of a base like sodium hydroxide. The yield is around 85%, and the reaction is selective, producing the desired product with minimal by-products. The process is efficient and can be scaled up for industrial use.

What industries use Ethyl 4-amino-3-chlorobenzoate (CAS: 82765-44-4)?

Ethyl 4-amino-3-chlorobenzoate (CAS: 82765-44-4) is used in the pharmaceutical industry as an intermediate for the synthesis of certain drugs. It also finds applications in the polymer industry for the production of specific polymers and in the electronics industry for components in sensors and semiconductors. Its versatility makes it valuable in multiple sectors.

What precautions should be taken when handling Ethyl 4-amino-3-chlorobenzoate (CAS: 82765-44-4)?

When handling Ethyl 4-amino-3-chlorobenzoate (CAS: 82765-44-4), ensure proper personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Store it in a cool, dry place away from direct sunlight and flammable materials. Use a fume hood during handling to avoid inhalation of vapors. In case of a spill, clean up with appropriate absorbents and dispose of according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed handling instructions.